A new NMR method for structural verification and B resonance assignment in (car)borane clusters is presented, based on the measurement of B residual quadrupolar couplings (RQCs) in a stretched polystyrene (PS) gel. The method was applied to -carborane (BCH), a derivative thereof with reduced symmetry, -carborane and decaborane (BH).
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Amino acids with unusual types of chirality and their derivatives have recently attracted attention as precursors in the synthesis of chiral catalysts and peptide analogues with unique properties. In this study, we have synthesized a new -carborane-based planar-chiral amino acid, in the molecule of which the amino group is directly bonded to the B(3) atom, and the carboxyl group is attached to the B(9) atom through the CHS(Me) fragment. 3-Amino-9-dimethylsulfonio--carborane, prepared in three steps from 3-amino--carborane in a high yield, was a key intermediate in the synthesis of the target planar-chiral amino acid.
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A new NMR method for structural verification and B resonance assignment in (car)borane clusters is presented, based on the measurement of B residual quadrupolar couplings (RQCs) in a stretched polystyrene (PS) gel. The method was applied to -carborane (BCH), a derivative thereof with reduced symmetry, -carborane and decaborane (BH).
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Department of Chemistry, Institute for Molecular Science and Fusion Technology, Kangwon National University, Chuncheon 24341, Korea.
The photophysical properties of carboranyl-based donor-acceptor dyads are known to be affected by the electronic environment of the carborane cage but the influence of the electronic environment of the donor moiety remains unclear. Herein, four 9-phenyl-9-carbazole-based --carboranyl compounds (, , , and ), in which an -carborane cage was appended at the C3-position of a 9-phenyl-9-carbazole moiety bearing various functional groups, were synthesized and fully characterized using multinuclear nuclear magnetic resonance spectroscopy and elemental analysis. Furthermore, the solid-state molecular structures of and were determined by X-ray diffraction crystallography.
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Department of Chemistry, Institute for Molecular Science and Fusion Technology, Kangwon National University, Chuncheon 24341, Korea.
--carboranyl compounds bearing the -type perfectly distorted or planar terphenyl rings (- and -, respectively) and their -derivatives (- and -, respectively) were synthesized and fully characterized using multinuclear NMR spectroscopy and elemental analysis. Although the emission spectra of both -compounds exhibited intriguing emission patterns in solution at 298 and 77 K, in the film state, - mainly exhibited a π-π* local excitation (LE)-based emission in the high-energy region, whereas - produced an intense emission in the low-energy region corresponding to an intramolecular charge transfer (ICT) transition. In particular, the positive solvatochromic effect of - and theoretical calculation results at the first excited (S) optimized structure of both -compounds strongly suggest that these dual-emissive bands at the high- and low-energy can be assigned to each π-π* LE and ICT transition.
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